N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C17H25NO2 — CID 47007027

IUPACN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCCOCCCNC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NO2/c1-2-20-11-5-10-18-17(19)13-14-8-9-15-6-3-4-7-16(15)12-14/h8-9,12H,2-7,10-11,13H2,1H3,(H,18,19)
InChIKeyFJJMHYMUZUMKHZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.65
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 47007027) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID47007027
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCCOCCCNC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NO2/c1-2-20-11-5-10-18-17(19)13-14-8-9-15-6-3-4-7-16(15)12-14/h8-9,12H,2-7,10-11,13H2,1H3,(H,18,19)
InChIKeyFJJMHYMUZUMKHZ-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 47007027) is N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CCOCCCNC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is FJJMHYMUZUMKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-11-5-10-18-17(19)13-14-8-9-15-6-3-4-7-16(15)12-14/h8-9,12H,2-7,10-11,13H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 275.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 47007027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).